(2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate
TL;DR: (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate (CAS 7497-10-1) is a chemical compound with molecular formula C13H3Cl7O2 and molecular weight 435.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 3,4-dichlorobenzoate
Also Known As: Pentachlorophenyl 3,4-dichlorobenzoate, (2,3,4,5,6-pentachlorophenyl) 3,4-dichlorobenzoate, Benzoic acid, 3,4-dichloro-,pentachlorophenyl ester
| Molecular Formula | C13H3Cl7O2 |
|---|---|
| Molecular Weight | 435.80 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.7953 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 7497-10-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | PUAMOKDPCZWYCF-UHFFFAOYSA-N |
Product Overview
(2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate (CAS 7497-10-1), with molecular formula C13H3Cl7O2 and molecular weight 435.80 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 3,4-dichlorobenzoate.
Chemical Property Profile of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate
Property Insights of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate
The XLogP value of 8.5 indicates that (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate?
The CAS number of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate is 7497-10-1.
What is the molecular formula of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate?
The molecular formula of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate is C13H3Cl7O2.
What is the molecular weight of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate?
The molecular weight of (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate is 435.80 g/mol.
Where can I buy (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate?
You can request a quote for (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4,5,6-Pentachlorophenyl) 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.